CID 2775319

175277-21-1

Structural Information

Molecular Formula
C7H6F3N3O2
SMILES
CNC1=C(C=C(C=N1)C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C7H6F3N3O2/c1-11-6-5(13(14)15)2-4(3-12-6)7(8,9)10/h2-3H,1H3,(H,11,12)
InChIKey
UFFBYIGPCGICNB-UHFFFAOYSA-N
Compound name
N-methyl-3-nitro-5-(trifluoromethyl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

221.04121 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.04849 137.3
[M+Na]+ 244.03043 146.0
[M-H]- 220.03393 136.5
[M+NH4]+ 239.07503 153.6
[M+K]+ 260.00437 139.7
[M+H-H2O]+ 204.03847 133.1
[M+HCOO]- 266.03941 158.8
[M+CH3COO]- 280.05506 184.0
[M+Na-2H]- 242.01588 146.2
[M]+ 221.04066 131.7
[M]- 221.04176 131.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe